2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole

C40H25N3OS — CID 140680258

IUPAC2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5c6oc(-c7ccccc7)c(-c7ccccc7)c6ccc54)c3)s2)cc1
InChIInChI=1S/C40H25N3OS/c1-4-13-26(14-5-1)35-32-23-24-34-36(38(32)44-37(35)27-15-6-2-7-16-27)31-21-10-11-22-33(31)43(34)30-20-12-19-29(25-30)40-42-41-39(45-40)28-17-8-3-9-18-28/h1-25H
InChIKeyDITYIRCFRFINJH-UHFFFAOYSA-N
MW595.73 g/mol
LogP11.05
Rot. Bonds5

About 2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole

2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole (PubChem CID 140680258) has the molecular formula C40H25N3OS and a molecular weight of 595.73 g/mol. Its IUPAC name is 2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole.

Molecular Properties

Compound Name2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole
PubChem CID140680258
Molecular FormulaC40H25N3OS
Molecular Weight595.73 g/mol
Exact Mass595.17
IUPAC Name2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5c6oc(-c7ccccc7)c(-c7ccccc7)c6ccc54)c3)s2)cc1
InChIInChI=1S/C40H25N3OS/c1-4-13-26(14-5-1)35-32-23-24-34-36(38(32)44-37(35)27-15-6-2-7-16-27)31-21-10-11-22-33(31)43(34)30-20-12-19-29(25-30)40-42-41-39(45-40)28-17-8-3-9-18-28/h1-25H
InChIKeyDITYIRCFRFINJH-UHFFFAOYSA-N
XLogP11.05
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.73
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228116
2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229659
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 162158013
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228574
2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole
CID 118229660
6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228107
2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744039
N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline
CID 122593926
6-(3-dibenzothiophen-2-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604352
6-dibenzofuran-4-yl-2,3-diphenylfuro[3,2-c]carbazole;6-dibenzothiophen-4-yl-2,3-diphenylfuro[3,2-c]carbazole;2,6-diphenyl-[1,3]oxazolo[4,5-c]carbazole
CID 162037448
2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole
CID 122593896
6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228142

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole?
The IUPAC name of 2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole (CID 140680258) is 2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole.
What is the SMILES notation for 2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole?
The canonical SMILES for 2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole is c1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5c6oc(-c7ccccc7)c(-c7ccccc7)c6ccc54)c3)s2)cc1.
What is the InChIKey of 2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole?
The InChIKey is DITYIRCFRFINJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3OS/c1-4-13-26(14-5-1)35-32-23-24-34-36(38(32)44-37(35)27-15-6-2-7-16-27)31-21-10-11-22-33(31)43(34)30-20-12-19-29(25-30)40-42-41-39(45-40)28-17-8-3-9-18-28/h1-25H.
What are the key properties of 2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole?
2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole has a molecular weight of 595.73 g/mol, XLogP of 11.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole is sourced from PubChem (CID 140680258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).